SCHEMBL3846912

SCHEMBL3846912

CCC(=O)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
EPHX1 P07099 2/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
EPHX2 P34913 2/20 0.39
ALOX5 P09917 1/20 0.38
HSD11B1 P28845 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
P2RX7 Q99572 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6662692 1.00 HPGD (0.47) HPGDEPHX1KMT2ATDP1CYP1A2
SCHEMBL327378 0.98 KMT2A (0.43) HPGDEPHX1KMT2ATDP1CYP1A2
SCHEMBL14751461 0.93
SCHEMBL8106988 0.89 HPGD (0.42) HPGDEPHX1KMT2ATDP1CYP1A2
SCHEMBL8618756 0.87
Thiophene SCHEMBL27537280 0.85 EPHX2 (0.38) HPGDEPHX1KMT2ATDP1EPHX2
SCHEMBL7945281 0.85 EPHX1 (0.54) HPGDEPHX1KMT2AEPHX2ALOX5
SCHEMBL1148328 0.85 EPHX1 (0.54) HPGDEPHX1KMT2AEPHX2ALOX5
SCHEMBL19867672 0.85 KMT2A (0.38) HPGDEPHX1KMT2ATDP1EPHX2
Thiophene SCHEMBL27503885 0.82 EPHX2 (0.36) HPGDEPHX1KMT2ATDP1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731725-A Improved polyolefin composition and preparation method thereof IND TECH RES INST 2012-10-17 CN claimed
CN-110172274-B Quantum dot ink and electroluminescent device 苏州星烁纳米科技有限公司 2021-11-19 CN disclosed
CN-110172274-A Quantum dot ink and electroluminescent device 苏州星烁纳米科技有限公司 2019-08-27 CN disclosed
US-9867911-B2 Rapamycin 40-O-cyclic hydrocarbon esters, compositions and methods BIOTRONIK AG (CH) 2018-01-16 US disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
US-20170021065-A1 Rapamycin 40-O-Cyclic Hydrocarbon Esters, Compositions and Methods BIOTRONIK AG (CH) 2017-01-26 US disclosed
EP-1489459-B1 Positive resist composition and method of forming pattern using the same FUJIFILM CORP (JP) 2015-10-14 EP disclosed
WO-2015117196-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 WO disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
WO-2013066991-A1 CRYSTALLINE SOLVATES OF NUCLEOSIDE PHOSPHOROAMIDATES, THEIR STEREOSELECTIVE PREPARATION, NOVEL INTERMEDIATES THEREOF, AND THEIR USE IN THE TREATMENT OF VIRAL DISEASE INHIBITEX, INC. (US) 2013-05-10 WO disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
WO-2009033183-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV AND CONDITIONS ASSOCIATED WITH CD81 BINDING UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 WO disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 US disclosed
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2008-11-06 US disclosed
CN-100343371-C Heavy fuel oil additive containing benzopyran multi-hydroxy metal compound CAI KEER (CN) 2007-10-17 CN disclosed
CN-1763158-A Heavy fuel oil additive containing benzopyran multi-hydroxy metal compound CAI KEER (CN) 2006-04-26 CN disclosed
US-4370323-A 2-Cyanoaziridinyl-(1)-2-substituted-aziridinyl-(1)-methanes BOEHRINGER MANNHEIM GMBH (DE) 1983-01-25 US disclosed
US-4067886-A REACTING KETONES AND KETALS WITH HALOGEN LEVER BROTHERS COMPANY (US) 1978-01-10 US disclosed
US-3956316-A PROGESTATIONAL AND SALT-RETAINING AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR HPN, HCCS, SPINT2 HPGD 174/4885EPHX1 180/4885KMT2A 1288/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 HPGD 4148/4885EPHX1 3367/4885KMT2A 3426/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 HPGD 237/4885EPHX1 412/4885KMT2A 2252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.